SCHEMBL6885965

SCHEMBL6885965

COc1ccc2c(c1)-c1nc(N)sc1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 3/20 1.00
MPI P34949 1/20 1.00
ADORA1 P30542 6/20 0.78
FBP1 P09467 7/20 0.67
TP53 P04637 2/20 0.56
GAA P10253 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12797289 0.92 MAPT (0.85) MAPTALDH1A1KDM4EMPIADORA1
SCHEMBL1815237 0.89 ADORA1 (0.97) MAPTALDH1A1KDM4EMPIADORA1
Bromide SCHEMBL2762927 0.88 ADORA1 (0.95) MAPTALDH1A1KDM4EMPIADORA1
SCHEMBL11955706 0.81 ADORA1 (0.74) MAPTALDH1A1KDM4EMPIADORA1
SCHEMBL12797292 0.81 ADORA1 (0.83) MAPTALDH1A1KDM4EMPIADORA1
Iodide SCHEMBL3994593 0.81 ADORA1 (1.00) MAPTALDH1A1KDM4EMPIADORA1
SCHEMBL2762751 0.80 KDM4E (0.67) MAPTALDH1A1KDM4EMPIADORA1
SCHEMBL30953685 0.78 KDM4E (0.64) MAPTALDH1A1KDM4EMPIADORA1
SCHEMBL30953677 0.76 KDM4E (0.61) MAPTALDH1A1KDM4EMPIADORA1
SCHEMBL6887342 0.75 MAPT (0.67) MAPTALDH1A1KDM4EMPIADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472315-B2 Inhibitors of methionine aminopeptidases and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2019-11-12 US disclosed
US-10472315-B2 Inhibitors of methionine aminopeptidases and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2019-11-12 US disclosed
US-20120196852-A1 INHIBITORS OF METHIONINE AMINOPEPTIDASES AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-08-02 US disclosed
US-20120196852-A1 INHIBITORS OF METHIONINE AMINOPEPTIDASES AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-08-02 US disclosed
WO-2011017519-A2 INHIBITORS OF METHIONINE AMINOPEPTIDASES AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-02-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120196852-A1 INHIBITORS OF METHIONINE AMINOPEPTIDASES AND METHODS OF TREATING DISORDERS METAP1, METAP2, ENPEP MAPT 1551/4885ALDH1A1 1430/4885KDM4E 3317/4885
US-10472315-B2 Inhibitors of methionine aminopeptidases and methods of treating disorders METAP1, METAP2, ENPEP MAPT 1551/4885ALDH1A1 1430/4885KDM4E 3317/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.